AW: how to run NAMD-CUDA on multiple nodes

From: Norman Geist (
Date: Tue Nov 27 2012 - 02:09:01 CST

Hi Thomas,


this problem has been posted a lot. The error you see is due the
incompatibility of the precompiled ibverbs stuff vs. your ib installation.
There are two possibilities to solve this:


1. Use a non ibverbs binary with IPoIB

2. Compile namd with ibverbs on your own.


Good luck


Norman Geist.


Von: [] Im Auftrag
von Thomas Evangelidis
Gesendet: Montag, 26. November 2012 14:57
An: namd-l
Cc: Norman Geist
Betreff: namd-l: how to run NAMD-CUDA on multiple nodes



Although I can run the ibverbs binary with CUDA on a single node, on
multiple nodes I get:

Charmrun> error 0 attaching to node:
Timeout waiting for node-program to connect
Charmrun> IBVERBS version of charmrun

I use this command line in my pbs script for ibverbs binary with CUDA:

$NAMD_BIN/charmrun ++runscript ./runscript.csh ++verbose ++remote-shell ssh
++nodelist $nodefile +p24 $NAMD_BIN/namd2 +setcpuaffinity +idlepoll

runscript.csh contents are:


Is this the way to run NAMD-ibverbs-cuda on multiple nodes? If not could you
please give me the right command line?


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